2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-9-ium-8-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-9-ium-8-yl]sulfanyl]ethanoate Openeye Name: 2-[(3-methyl-2,6-dioxo-7H-purin-9-ium-8-yl)sulfanyl]acetate CAS Name: 2-[(3-methyl-2,6-dioxo-7H-purin-9-ium-8-yl)thio]acetate IUPAC Name: 2-[(3-methyl-2,6-dioxo-7H-purin-9-ium-8-yl)sulfanyl]acetate Traditional Name: 2-[(2,6-diketo-3-methyl-7H-purin-9-ium-8-yl)thio]acetate Formula: C8H8N4O4S MolecularWeight: 256.23852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=[NH+]2)SCC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=[NH+]2)SCC(=O)[O-]

InChI

InChI=1S/C8H8N4O4S/c1-12-5-4(6(15)11-8(12)16)9-7(10-5)17-2-3(13)14/h2H2,1H3,(H,9,10)(H,13,14)(H,11,15,16)